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Substance Name: 3-(Isopropyl)-6-methylcyclohex-2-en-1-one
RN: 499-74-1
InChIKey: RLYSXAZAJUMULG-UHFFFAOYSA-N

Molecular Formula

  • C10-H16-O

Molecular Weight

  • 152.235
 
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Names and Synonyms

Synonyms

  • AI3-27537
  • EINECS 207-888-0

Systematic Names

  • 2-Cyclohexen-1-one, 6-methyl-3-(1-methylethyl)-
  • 3-(Isopropyl)-6-methylcyclohex-2-en-1-one

Registry Numbers

CAS Registry Number

  • 499-74-1

System Generated Number

  • 0000499741

Structure Descriptors

InChI

1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h6-8H,4-5H2,1-3H3

InChIKey

RLYSXAZAJUMULG-UHFFFAOYSA-N

Smiles

C1(=CC([C@@H](C)CC1)=O)C(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.070 (none)   EST
Water Solubility 2180 mg/L 15 EXP
Vapor Pressure 0.203 mm Hg 25 EST
Henry's Law Constant 8.79E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.84E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.